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canSAR2204424
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)N(C)S(=O)(=O)[C@@]34CCN(Cc3ccccn3)C4)c2)nc1
    InChI
    InChI=1S/C27H30FN7O4S/c1-26(21-14-18(7-9-22(21)28)32-24(36)23-10-8-20(39-3)15-31-23)27(40(37,38)34(2)25(29)33-26)11-13-35(17-27)16-19-6-4-5-12-30-19/h4-10,12,14-15H,11,13,16-17H2,1-3H3,(H2,29,33)(H,32,36)/t26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H30FN7O4S
    CROSS REFERENCES
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    canSAR2204424

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.21
    AlogP 2.54
    HBond donors 3
    HBond acceptors 11
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2204424.